2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C19H24F3N3O4 — CID 158642923

IUPAC2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC1CC(OCC(=O)NC23CC(c4nnc(C5CC(OC(F)(F)F)C5)o4)(C2)C3)C1
InChIInChI=1S/C19H24F3N3O4/c1-10-2-12(3-10)27-6-14(26)23-18-7-17(8-18,9-18)16-25-24-15(28-16)11-4-13(5-11)29-19(20,21)22/h10-13H,2-9H2,1H3,(H,23,26)
InChIKeyIAPOTLLQRZLEDF-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.96
Rot. Bonds7

About 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 158642923) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID158642923
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC Name2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC1CC(OCC(=O)NC23CC(c4nnc(C5CC(OC(F)(F)F)C5)o4)(C2)C3)C1
InChIInChI=1S/C19H24F3N3O4/c1-10-2-12(3-10)27-6-14(26)23-18-7-17(8-18,9-18)16-25-24-15(28-16)11-4-13(5-11)29-19(20,21)22/h10-13H,2-9H2,1H3,(H,23,26)
InChIKeyIAPOTLLQRZLEDF-UHFFFAOYSA-N
XLogP2.96
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 158642923) is 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC1CC(OCC(=O)NC23CC(c4nnc(C5CC(OC(F)(F)F)C5)o4)(C2)C3)C1.
What is the InChIKey of 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is IAPOTLLQRZLEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O4/c1-10-2-12(3-10)27-6-14(26)23-18-7-17(8-18,9-18)16-25-24-15(28-16)11-4-13(5-11)29-19(20,21)22/h10-13H,2-9H2,1H3,(H,23,26).
What are the key properties of 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 415.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclobutyl)oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 158642923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).